methyl 5-(4-chloro-2-methylphenoxymethyl)furan-2-carboxylate

methyl 5-(4-chloro-2-methylphenoxymethyl)furan-2-carboxylate

CAS: 438218-23-6

Formula: C14H13ClO4

SMILES: COC(=O)C1=CC=C(COC2=CC=C(Cl)C=C2C)O1

IUPAC: methyl 5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxylate

InChI: InChI=1S/C14H13ClO4/c1-9-7-10(15)3-5-12(9)18-8-11-4-6-13(19-11)14(16)17-2/h3-7H,8H2,1-2H3

Composition: C (59.90%), H (4.67%), Cl (12.63%), O (22.80%)

Molar Mass: 280.7

Atom Count: 32

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	280.0502366
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XVBFXCXYOMFPPT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.27
Topological Polar Surface Area	48.67
Polarizability	27.41
Ring Count	2
Rotatable Bond Count	5

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